2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide

C16H16ClNO3 — CID 106501743

IUPAC2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cc(O)ccc2Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-2-9-21-13-6-3-11(4-7-13)18-16(20)14-10-12(19)5-8-15(14)17/h3-8,10,19H,2,9H2,1H3,(H,18,20)
InChIKeySDEUDHRHBWYCHL-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.09
Rot. Bonds5

About 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide

2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide (PubChem CID 106501743) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
PubChem CID106501743
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cc(O)ccc2Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-2-9-21-13-6-3-11(4-7-13)18-16(20)14-10-12(19)5-8-15(14)17/h3-8,10,19H,2,9H2,1H3,(H,18,20)
InChIKeySDEUDHRHBWYCHL-UHFFFAOYSA-N
XLogP4.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
CID 66483370
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
2-chloro-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 106501367
5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide
CID 115299069
2-chloro-5-nitro-N-(4-pentoxyphenyl)benzamide
CID 19171139
2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
CID 1118900
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide (CID 106501743) is 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2cc(O)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide?
The InChIKey is SDEUDHRHBWYCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-2-9-21-13-6-3-11(4-7-13)18-16(20)14-10-12(19)5-8-15(14)17/h3-8,10,19H,2,9H2,1H3,(H,18,20).
What are the key properties of 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide?
2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide has a molecular weight of 305.76 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 106501743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).